SCHEMBL9472829

SCHEMBL9472829

O=C(NCC#CCN1CC2CCC(CC2)C1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.51
CHRM1 P11229 5/20 0.51
CHRM3 P20309 5/20 0.51
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9472866 0.99 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL4634120 0.90 CHRM2 (0.50) CHRM2CHRM1CHRM3
SCHEMBL4633682 0.89 CHRM2 (0.49) CHRM2CHRM1CHRM3
SCHEMBL9473669 0.89 MEN1 (0.61) CHRM2CHRM1CHRM3
SCHEMBL9878657 0.89 MEN1 (0.61) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9473777 0.88 MEN1 (0.63) CHRM2CHRM1CHRM3
SCHEMBL9473907 0.86 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL9473202 0.86 ALDH1A1 (0.63) CHRM2CHRM1CHRM3
SCHEMBL9474441 0.85 SMN1; SMN2 (0.60) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9473568 0.85 CHRM2 (0.54) CHRM2CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192779-A Substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-09 US disclosed
US-5066680-A NOVEL SUBSTITUTED-ACETAMIDE COMPOUND AND A PROCESS FOR THE PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 US disclosed
EP-0383256-A2 A novel substituted-acetamide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-22 EP disclosed